Beispiel #1
0
    def dGE_dns(self):
        r'''Calculate and return the mole number derivative of excess
        Gibbs energy of a liquid phase using an activity coefficient model.

        .. math::
            \frac{\partial G^E}{\partial n_i}

        Returns
        -------
        dGE_dns : list[float]
            First mole number derivative of excess Gibbs entropy of the liquid
            phase, [J/(mol^2*K)]

        Notes
        -----
        '''
        return dxs_to_dns(self.dGE_dxs(), self.xs)
Beispiel #2
0
    def dSE_dns(self):
        r'''Calculate and return the mole number derivative of excess
        entropy of a liquid phase using an activity coefficient model.

        .. math::
            \frac{\partial S^E}{\partial n_i}

        Returns
        -------
        dSE_dns : list[float]
            First mole number derivative of excess entropy of the liquid
            phase, [J/(mol^2*K)]

        Notes
        -----
        '''
        dSE_dns = dxs_to_dns(self.dSE_dxs(), self.xs)
        if not self.scalar and type(dSE_dns) is list:
            dSE_dns = array(dSE_dns)
        return dSE_dns
Beispiel #3
0
    def d2GE_dTdns(self):
        r'''Calculate and return the mole number derivative of the first
        temperature derivative of excess Gibbs energy of a liquid phase using
        an activity coefficient model.

        .. math::
            \frac{\partial^2 G^E}{\partial n_i \partial T}

        Returns
        -------
        d2GE_dTdns : list[float]
            First mole number derivative of the temperature derivative of
            excess Gibbs entropy of the liquid phase, [J/(mol^2*K)]

        Notes
        -----
        '''
        d2GE_dTdns = dxs_to_dns(self.d2GE_dTdxs(), self.xs)
        if not self.scalar and type(d2GE_dTdns) is list:
            d2GE_dTdns = array(d2GE_dTdns)
        return d2GE_dTdns